Accuracy

Er_(VUSHEW) r   7052 Erbium complex, CCDC: VUSHEW (Geo)

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    #  Species Formula
  7042 Erbium complex, CCDC: POHDEV (Geo)C24H35O3Cl2Er
  7043 Erbium complex, CCDC: ZUFSAU (Geo)C24H22N4O6Cl4Er
  7044 Erbium complex, CCDC: MALZOO01 (Geo)C34H30NP2Se2Er
  7045 Erbium complex, CCDC: NUFGIE (Geo)C30H39O3Se3Er
  7046 Erbium complex, CCDC: PESQUZ (Geo)C26H50OSi4IEr
  7047 Erbium complex, CCDC: GERQID (Geo)C44H54Er2
  7048 Erbium complex, CCDC: FEVGUI (Geo)C30H40N2Er2
  7049 Erbium complex, CCDC: DIDCAU (Geo)C24H38O14Er2
  7050 Erbium complex, CCDC: TACERB01 (Geo)C12H26O16Er2
  7051 Erbium complex, CCDC: HAGSAJ (Geo)C48H50O16Er2
  7052 Erbium complex, CCDC: VUSHEW (Geo) C12H44N4O16Er2
  7053 Erbium complex, CCDC: DAFKOK (Geo)C24H36N4O22Er2
  7054 Erbium complex, CCDC: FOSXUG (Geo)C20H20Cl2Er2
  7055 Erbium complex, CCDC: TOKTOC (Geo)C36H52Cl2Er2
  7056 Erbium complex, CCDC: PIDCAG (Geo)C40H52Cl2Er2
  7057 Erbium complex, CCDC: YADWUV (Geo)C28H36O2Cl2Er2
  7058 Erbium complex, CCDC: DUFCUC10 (Geo)C20H20Br2Er2
  7059 Erbium complex, CCDC: JAQFEM (Geo)C44H84Si8Br2Er2
  7060 Thulium complex, CCDC: TUTXOV (Geo)C18H31N9Tm
  7061 Thulium complex, CCDC: VEQFUS (Geo)C27H27N4O3Tm
  7062 Thulium complex, CCDC: MEDNAK (Geo)C26H30N8O6Tm


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES CHARGE=6.0
Erbium complex, CCDC: VUSHEW
 <Er-O2> <Er-O3> <> <Er-O4> <> <> <Er-O5> <> <> <Er-O6> <> <> <Er-O7> GR=CCDC
 Er     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.25699998 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.28610000 +1   87.2095214 +1    0.0000000 +0     1     2     0
  O     2.29411283 +1  108.5682437 +1   73.2937155 +1     1     2     3
  O     2.30410000 +1   80.7057949 +1  144.6302537 +1     1     2     3
  O     2.32959996 +1   85.3351432 +1 -102.4635696 +1     1     2     3
  O     2.36869994 +1  149.7253375 +1 -133.6189079 +1     1     2     3
  O     4.51111508 +1  122.5517966 +1 -138.6079501 +1     1     2     3
  O     4.61372979 +1  159.8776812 +1  -77.8300190 +1     1     2     3
  O     2.20287946 +1  134.9766639 +1   -1.6223515 +1     4     1     2
  O     2.19093391 +1  121.8558202 +1  -64.2580315 +1     5     1     2
  O     2.19386944 +1  131.7202235 +1   69.3922057 +1     3     1     2
  O     2.20718223 +1  120.2993594 +1  -69.9611343 +1     2     1     3
  N     2.74423565 +1  144.6254301 +1  104.0535397 +1     2     1     3
  O     3.79336493 +1  179.9967254 +1   64.0968396 +1    13     2     1
  N     3.25354106 +1  163.4219658 +1   64.4542863 +1     5     1     2
  N     2.88612434 +1   88.9416147 +1  171.5265884 +1    12     3     1
  N     2.82137342 +1   91.3721263 +1 -162.7568313 +1    10     4     1
  O     3.77097477 +1  174.1973362 +1   93.9249305 +1    10     4     1
  O     2.88886842 +1   88.0386292 +1 -160.9136286 +1    19    10     4
  O     3.66884327 +1  167.9592845 +1   78.4800884 +1    11     5     1
 Er     2.23309337 +1  127.5788949 +1    8.0644039 +1    10     4     1
  C     1.22959391 +1   29.5100302 +1 -166.8514823 +1    11     5     1
  C     1.52541179 +1   43.2346443 +1  151.1508440 +1    16     5     1
  C     1.51303313 +1  109.1722084 +1  153.0808085 +1    24    16     5
  C     1.52493983 +1   58.9072934 +1  -28.6250740 +1    18    10     4
  C     1.28018158 +1  158.9280214 +1   56.6909615 +1     3     1     2
  C     1.28089238 +1  147.9549867 +1  -61.3704299 +1     2     1     3
  C     1.52615335 +1   61.2924746 +1 -160.2379898 +1    14     2     1
  C     1.51468347 +1  109.0352367 +1 -133.9805877 +1    29    14     2
  C     1.29436017 +1   28.6758239 +1 -177.0283496 +1    10     4     1
  C     1.53141384 +1   56.4386734 +1   35.2828203 +1    17    12     3
  C     1.51429350 +1  108.8046103 +1 -143.3491426 +1    32    17    12
  C     1.51522388 +1  108.9900328 +1  140.7245407 +1    26    18    10
  H     0.98807687 +1  102.6821901 +1  158.1424352 +1    15    13     2
  H     0.96551030 +1   61.6553235 +1   83.8040007 +1    21    11     5
  H     1.04635029 +1  129.1769676 +1  -17.5025397 +1     7     1     2
  H     0.97190525 +1  126.5379032 +1  -81.5015536 +1     8     1     2
  H     0.96837919 +1  120.5205879 +1  159.4242736 +1     9     1     2
  H     0.99168506 +1  133.5131435 +1  -45.1408477 +1     6     1     2
  H     0.98526067 +1  126.5566135 +1   27.1527506 +1    19    10     4
  H     0.97676075 +1  102.0079605 +1 -108.1871293 +1    20    19    10
  H     1.04054912 +1  118.5900741 +1  -60.5815471 +1    17    12     3
  H     1.03501862 +1   79.2866361 +1   14.9864333 +1    16     5     1
  H     1.03896490 +1   98.9596708 +1   91.6393496 +1    14     2     1
  H     1.03162646 +1   60.9563207 +1 -172.9993589 +1    18    10     4
  H     1.14221258 +1  107.9667502 +1 -100.1564621 +1    26    18    10
  H     1.09961663 +1  114.2184728 +1  -63.7313924 +1    34    26    18
  H     1.10769102 +1  111.6033181 +1  176.2914567 +1    34    26    18
  H     1.11621534 +1  113.1820546 +1   59.5713374 +1    34    26    18
  H     1.03656824 +1   97.9657488 +1   80.3870069 +1    18    10     4
  H     1.05660732 +1  154.0427985 +1 -100.6905733 +1    18    10     4
  H     1.13427897 +1  108.1772949 +1  -86.5292919 +1    24    16     5
  H     1.10045649 +1  113.8490428 +1  -58.3426675 +1    25    24    16
  H     1.10355105 +1  111.9297517 +1 -177.7497969 +1    25    24    16
  H     1.11612407 +1  112.9567298 +1   65.3042848 +1    25    24    16
  H     1.03097953 +1   94.7449931 +1  -93.3303336 +1    16     5     1
  H     1.05744848 +1  151.4266049 +1  124.2097137 +1    16     5     1
  H     0.97483451 +1  127.8727744 +1  110.5448565 +1     8     1     2
  H     1.00658665 +1  123.7119179 +1  156.5234174 +1     6     1     2
  H     1.03585807 +1  133.5161911 +1  141.9520629 +1     7     1     2
  H     0.97351237 +1  133.8024805 +1  -34.9379070 +1     9     1     2
  H     1.14023155 +1  107.9589011 +1  106.8615480 +1    29    14     2
  H     1.10571008 +1  111.4825673 +1 -176.0130999 +1    30    29    14
  H     1.09942562 +1  114.1912575 +1   64.2109746 +1    30    29    14
  H     1.11626659 +1  113.3195746 +1  -59.0115874 +1    30    29    14
  H     1.02966102 +1   56.7807237 +1  -14.3834986 +1    14     2     1
  H     1.05290072 +1  153.0610278 +1  -82.1786285 +1    14     2     1
  H     0.97791382 +1  136.3695568 +1  130.7794035 +1    20    19    10
  H     0.98638847 +1  126.6926315 +1  179.6807565 +1    19    10     4
  H     0.99048495 +1  130.3342307 +1   42.1014524 +1    15    13     2
  H     0.98543337 +1  164.5406803 +1   80.6998833 +1    21    11     5
  H     1.13304883 +1  107.9504990 +1   96.6009015 +1    32    17    12
  H     1.10180685 +1  111.1490908 +1  178.6885738 +1    33    32    17
  H     1.10079271 +1  113.8565559 +1   59.5383027 +1    33    32    17
  H     1.11273432 +1  112.7592218 +1  -63.7767744 +1    33    32    17
  H     1.03273570 +1   54.4769182 +1 -154.6500797 +1    17    12     3
  H     1.05099013 +1  133.4384314 +1  122.8111761 +1    17    12     3